OpenRaiser/Intern-Atlas huggingface dataset:
DREAMS: Density Functional Theory Based Research Engine for Agentic Materials Simulation
Venue: arXiv cs.AI 2025
Year: 2025

Materials discovery relies on high-throughput, high-fidelity simulation techniques such as Density Functional Theory (DFT), which require years of training, extensive parameter fine-tuning and systematic error handling. To address these challenges, we introduce the DFT-based Research Engine for Agentic Materials Screening (DREAMS), a hierarchical, multi-agent framework for DFT simulation that combines a central Large Language Model (LLM) planner agent with domain-specific LLM agents for atomistic structure generation, systematic DFT convergence testing, High-Performance Computing (HPC) scheduling, and error handling. In addition, a shared canvas helps the LLM agents to structure their discussions, preserve context and prevent hallucination. We validate DREAMS capabilities on the Sol27LC lattice-constant benchmark, achieving average errors below 1\% compared to the results of human DFT experts. Furthermore, we apply DREAMS to the long-standing CO/Pt(111) adsorption puzzle, demonstrating its long-term and complex problem-solving capabilities. The framework again reproduces expert-level literature adsorption-energy differences. Finally, DREAMS is employed to quantify functional-driven uncertainties with Bayesian ensemble sampling, confirming the Face Centered Cubic (FCC)-site preference at the Generalized Gradient Approximation (GGA) DFT level. In conclusion, DREAMS approaches L3-level automation - autonomous exploration of a defined design space - and significantly reduces the reliance on human expertise and intervention, offering a scalable path toward democratized, high-throughput, high-fidelity computational materials discovery.
What Makes You CLIC: Detection of Croatian Clickbait Headlines
Venue: arXiv cs.CL 2025
Year: 2025

Online news outlets operate predominantly on an advertising-based revenue model, compelling journalists to create headlines that are often scandalous, intriguing, and provocative -- commonly referred to as clickbait. Automatic detection of clickbait headlines is essential for preserving information quality and reader trust in digital media and requires both contextual understanding and world knowledge. For this task, particularly in less-resourced languages, it remains unclear whether fine-tuned methods or in-context learning (ICL) yield better results. In this paper, we compile CLIC, a novel dataset for clickbait detection of Croatian news headlines spanning a 20-year period and encompassing mainstream and fringe outlets. We fine-tune the BERTić model on this task and compare its performance to LLM-based ICL methods with prompts both in Croatian and English. Finally, we analyze the linguistic properties of clickbait. We find that nearly half of the analyzed headlines contain clickbait, and that finetuned models deliver better results than general LLMs.
Development and Deployment of Hybrid ML Models for Critical Heat Flux Prediction in Annulus Geometries
Venue: arXiv cs.LG 2025
Year: 2025

Accurate prediction of critical heat flux (CHF) is an essential component of safety analysis in pressurized and boiling water reactors. To support reliable prediction of this quantity, several empirical correlations and lookup tables have been constructed from physical experiments over the past several decades. With the onset of accessible machine learning (ML) frameworks, multiple initiatives have been established with the goal of predicting CHF more accurately than these traditional methods. While purely data-driven surrogate modeling has been extensively investigated, these approaches lack interpretability, lack resilience to data scarcity, and have been developed mostly using data from tube experiments. As a result, bias-correction hybrid approaches have become increasingly popular, which correct initial "low-fidelity" estimates provided by deterministic base models by using ML-predicted residuals. This body of work has mostly considered round tube geometries; annular geometry-specific ML models have not yet been deployed in thermal hydraulic codes. This study developed, deployed, and validated four ML models to predict CHF in annular geometries using the CTF subchannel code. Three empirical correlation models, Biasi, Bowring, and Katto, were used as base models for comparison. The ML models were trained and tested using 577 experimental annulus data points from four datasets: Becker, Beus, Janssen, and Mortimore. Baseline CHF predictions were obtained from the empirical correlations, with mean relative errors above 26%. The ML-driven models achieved mean relative errors below 3.5%, with no more than one point exceeding the 10% error envelope. In all cases, the hybrid ML models significantly outperformed their empirical counterparts.
DUSTrack: Semi-automated point tracking in ultrasound videos
Venue: arXiv cs.CV 2025
Year: 2025

Ultrasound technology enables safe, non-invasive imaging of dynamic tissue behavior, making it a valuable tool in medicine, biomechanics, and sports science. However, accurately tracking tissue motion in B-mode ultrasound remains challenging due to speckle noise, low edge contrast, and out-of-plane movement. These challenges complicate the task of tracking anatomical landmarks over time, which is essential for quantifying tissue dynamics in many clinical and research applications. This manuscript introduces DUSTrack (Deep learning and optical flow-based toolkit for UltraSound Tracking), a semi-automated framework for tracking arbitrary points in B-mode ultrasound videos. We combine deep learning with optical flow to deliver high-quality and robust tracking across diverse anatomical structures and motion patterns. The toolkit includes a graphical user interface that streamlines the generation of high-quality training data and supports iterative model refinement. It also implements a novel optical-flow-based filtering technique that reduces high-frequency frame-to-frame noise while preserving rapid tissue motion. DUSTrack demonstrates superior accuracy compared to contemporary zero-shot point trackers and performs on par with specialized methods, establishing its potential as a general and foundational tool for clinical and biomechanical research. We demonstrate DUSTrack's versatility through three use cases: cardiac wall motion tracking in echocardiograms, muscle deformation analysis during reaching tasks, and fascicle tracking during ankle plantarflexion. As an open-source solution, DUSTrack offers a powerful, flexible framework for point tracking to quantify tissue motion from ultrasound videos. DUSTrack is available at https://github.com/praneethnamburi/DUSTrack.
Incremental Causal Graph Learning for Online Cyberattack Detection in Cyber-Physical Infrastructures
Venue: arXiv cs.LG 2025
Year: 2025

The escalating threat of cyberattacks on real-time critical infrastructures poses serious risks to public safety, demanding detection methods that effectively capture complex system interdependencies and adapt to evolving attack patterns. Traditional real-time anomaly detection techniques often suffer from excessive false positives due to their statistical sensitivity to high data variance and class imbalance. To address these limitations, recent research has explored modeling causal relationships among system components. However, prior work mainly focuses on offline causal graph-based approaches that require static historical data and fail to generalize to real-time settings. These methods are fundamentally constrained by: (1) their inability to adapt to dynamic shifts in data distribution without retraining, and (2) the risk of catastrophic forgetting when lacking timely supervision in live systems. To overcome these challenges, we propose INCADET, a novel framework for incremental causal graph learning tailored to real-time cyberattack detection. INCADET dynamically captures evolving system behavior by incrementally updating causal graphs across streaming time windows. The framework comprises three modules: 1) Early Symptom Detection: Detects transitions in system status using divergence in edge-weight distributions across sequential causal graphs. 2) Incremental Causal Graph Learning: Leverages experience replay and edge reinforcement to continually refine causal structures while preserving prior knowledge. 3) Causal Graph Classification: Employs Graph Convolutional Networks (GCNs) to classify system status using the learned causal graphs. Extensive experiments on real-world critical infrastructure datasets demonstrate that INCADET achieves superior accuracy, robustness, and adaptability compared to both static causal and deep temporal baselines in evolving attack scenarios.
NetIntent: Leveraging Large Language Models for End-to-End Intent-Based SDN Automation
Venue: arXiv cs.NI 2025
Year: 2025

Intent-Based Networking (IBN) often leverages the programmability of Software-Defined Networking (SDN) to simplify network management. However, significant challenges remain in automating the entire pipeline, from user-specified high-level intents to device-specific low-level configurations. Existing solutions often rely on rigid, rule-based translators and fixed APIs, limiting extensibility and adaptability. By contrast, recent advances in large language models (LLMs) offer a promising pathway that leverages natural language understanding and flexible reasoning. However, it is unclear to what extent LLMs can perform IBN tasks. To address this, we introduce IBNBench, a first-of-its-kind benchmarking suite comprising four novel datasets: Intent2Flow-ODL, Intent2Flow-ONOS, FlowConflict-ODL, and FlowConflict-ONOS. These datasets are specifically designed for evaluating LLMs performance in intent translation and conflict detection tasks within the industry-grade SDN controllers ODL and ONOS. Our results provide the first comprehensive comparison of 33 open-source LLMs on IBNBench and related datasets, revealing a wide range of performance outcomes. However, while these results demonstrate the potential of LLMs for isolated IBN tasks, integrating LLMs into a fully autonomous IBN pipeline remains unexplored. Thus, our second contribution is NetIntent, a unified and adaptable framework that leverages LLMs to automate the full IBN lifecycle, including translation, activation, and assurance within SDN systems. NetIntent orchestrates both LLM and non-LLM agents, supporting dynamic re-prompting and contextual feedback to robustly execute user-defined intents with minimal human intervention. Our implementation of NetIntent across both ODL and ONOS SDN controllers achieves a consistent and adaptive end-to-end IBN realization.
NPUEval: Optimizing NPU Kernels with LLMs and Open Source Compilers
Venue: arXiv cs.PL 2025
Year: 2025

Neural processing units (NPUs) are gaining prominence in power-sensitive devices like client devices, with AI PCs being defined by their inclusion of these specialized processors. Running AI workloads efficiently on these devices requires libraries of optimized kernels. Creating efficient kernels demands expertise in domain-specific C++ with vector intrinsics and in-depth knowledge of the target architecture. Unlike GPU programming, which has had years to mature, NPU programming is new, with smaller and more fragmented developer communities across hardware platforms. This fragmentation poses a challenge when utilizing LLMs to assist in writing NPU kernels, as domain-specific optimized code examples are underrepresented in LLM pre-training data. In this paper we introduce NPUEval -- a benchmark for writing and evaluating NPU kernels, consisting of 102 common operators for machine learning workloads. We evaluate LLM generated code on actual hardware based on both functional correctness and vectorization efficiency using open source compiler tools targeting the AMD NPU. We evaluate a range of state-of-the-art LLMs with a mix of proprietary and open-weight models. Latest reasoning models like DeepSeek R1, show promising results achieving out-of-the-box 50%+ vectorization on select kernels. However, the average score across the entire dataset remains roughly 10% even with compiler feedback and vectorized kernel examples -- showing that this is a challenging dataset even for frontier models. The dataset and evaluation code will be released with a permissive open source license, providing an essential benchmark for advancing research in code generation and NPU kernel optimization.
Designing Conversational AI to Support Think-Aloud Practice in Technical Interview Preparation for CS Students
Venue: arXiv cs.HC 2025
Year: 2025

One challenge in technical interviews is the think-aloud process, where candidates verbalize their thought processes while solving coding tasks. Despite its importance, opportunities for structured practice remain limited. Conversational AI offers potential assistance, but limited research explores user perceptions of its role in think-aloud practice. To address this gap, we conducted a study with 17 participants using an LLM-based technical interview practice tool. Participants valued AI's role in simulation, feedback, and learning from generated examples. Key design recommendations include promoting social presence in conversational AI for technical interview simulation, providing feedback beyond verbal content analysis, and enabling crowdsourced think-aloud examples through human-AI collaboration. Beyond feature design, we examined broader considerations, including intersectional challenges and potential strategies to address them, how AI-driven interview preparation could promote equitable learning in computing careers, and the need to rethink AI's role in interview practice by suggesting a research direction that integrates human-AI collaboration.
X-Intelligence 3.0: Training and Evaluating Reasoning LLM for Semiconductor Display
Venue: arXiv cs.CL 2025
Year: 2025

Large language models (LLMs) have recently achieved significant advances in reasoning and demonstrated their advantages in solving challenging problems. Yet, their effectiveness in the semiconductor display industry remains limited due to a lack of domain-specific training and expertise. To bridge this gap, we present X-Intelligence 3.0, the first high-performance reasoning model specifically developed for the semiconductor display industry. This model is designed to deliver expert-level understanding and reasoning for the industry's complex challenges. Leveraging a carefully curated industry knowledge base, the model undergoes supervised fine-tuning and reinforcement learning to enhance its reasoning and comprehension capabilities. To further accelerate development, we implemented an automated evaluation framework that simulates expert-level assessments. We also integrated a domain-specific retrieval-augmented generation (RAG) mechanism, resulting in notable performance gains on benchmark datasets. Despite its relatively compact size of 32 billion parameters, X-Intelligence 3.0 outperforms SOTA DeepSeek-R1-671B across multiple evaluations. This demonstrates its exceptional efficiency and establishes it as a powerful solution to the longstanding reasoning challenges faced by the semiconductor display industry.
Timetide: A programming model for logically synchronous distributed systems
Venue: arXiv cs.PL 2025
Year: 2025

Massive strides in deterministic models have been made using synchronous languages. They are mainly focused on centralised applications, as the traditional approach is to compile away the concurrency. Time triggered languages such as Giotto and Lingua Franca are suitable for distribution albeit that they rely on expensive physical clock synchronisation, which is both expensive and may suffer from scalability. Hence, deterministic programming of distributed systems remains challenging. We address the challenges of deterministic distribution by developing a novel multiclock semantics of synchronous programs. The developed semantics is amenable to seamless distribution. Moreover, our programming model, Timetide, alleviates the need for physical clock synchronisation by building on the recently proposed logical synchrony model for distributed systems. We discuss the important aspects of distributing computation, such as network communication delays, and explore the formal verification of Timetide programs. To the best of our knowledge, Timetide is the first multiclock synchronous language that is both amenable to distribution and formal verification without the need for physical clock synchronisation or clock gating.
OptiCorNet: Optimizing Sequence-Based Context Correlation for Visual Place Recognition
Venue: arXiv cs.CV 2025
Year: 2025

Visual Place Recognition (VPR) in dynamic and perceptually aliased environments remains a fundamental challenge for long-term localization. Existing deep learning-based solutions predominantly focus on single-frame embeddings, neglecting the temporal coherence present in image sequences. This paper presents OptiCorNet, a novel sequence modeling framework that unifies spatial feature extraction and temporal differencing into a differentiable, end-to-end trainable module. Central to our approach is a lightweight 1D convolutional encoder combined with a learnable differential temporal operator, termed Differentiable Sequence Delta (DSD), which jointly captures short-term spatial context and long-range temporal transitions. The DSD module models directional differences across sequences via a fixed-weight differencing kernel, followed by an LSTM-based refinement and optional residual projection, yielding compact, discriminative descriptors robust to viewpoint and appearance shifts. To further enhance inter-class separability, we incorporate a quadruplet loss that optimizes both positive alignment and multi-negative divergence within each batch. Unlike prior VPR methods that treat temporal aggregation as post-processing, OptiCorNet learns sequence-level embeddings directly, enabling more effective end-to-end place recognition. Comprehensive evaluations on multiple public benchmarks demonstrate that our approach outperforms state-of-the-art baselines under challenging seasonal and viewpoint variations.
DFQ-ViT: Data-Free Quantization for Vision Transformers without Fine-tuning
Venue: arXiv cs.CV 2025
Year: 2025

Data-Free Quantization (DFQ) enables the quantization of Vision Transformers (ViTs) without requiring access to data, allowing for the deployment of ViTs on devices with limited resources. In DFQ, the quantization model must be calibrated using synthetic samples, making the quality of these synthetic samples crucial. Existing methods fail to fully capture and balance the global and local features within the samples, resulting in limited synthetic data quality. Moreover, we have found that during inference, there is a significant difference in the distributions of intermediate layer activations between the quantized and full-precision models. These issues lead to a severe performance degradation of the quantized model. To address these problems, we propose a pipeline for Data-Free Quantization for Vision Transformers (DFQ-ViT). Specifically, we synthesize samples in order of increasing difficulty, effectively enhancing the quality of synthetic data. During the calibration and inference stage, we introduce the activation correction matrix for the quantized model to align the intermediate layer activations with those of the full-precision model. Extensive experiments demonstrate that DFQ-ViT achieves remarkable superiority over existing DFQ methods and its performance is on par with models quantized through real data. For example, the performance of DeiT-T with 3-bit weights quantization is 4.29% higher than the state-of-the-art. Our method eliminates the need for fine-tuning, which not only reduces computational overhead but also lowers the deployment barriers for edge devices. This characteristic aligns with the principles of Green Learning by improving energy efficiency and facilitating real-world applications in resource-constrained environments.
Motion Segmentation and Egomotion Estimation from Event-Based Normal Flow
Venue: arXiv cs.CV 2025
Year: 2025

This paper introduces a robust framework for motion segmentation and egomotion estimation using event-based normal flow, tailored specifically for neuromorphic vision sensors. In contrast to traditional methods that rely heavily on optical flow or explicit depth estimation, our approach exploits the sparse, high-temporal-resolution event data and incorporates geometric constraints between normal flow, scene structure, and inertial measurements. The proposed optimization-based pipeline iteratively performs event over-segmentation, isolates independently moving objects via residual analysis, and refines segmentations using hierarchical clustering informed by motion similarity and temporal consistency. Experimental results on the EVIMO2v2 dataset validate that our method achieves accurate segmentation and translational motion estimation without requiring full optical flow computation. This approach demonstrates significant advantages at object boundaries and offers considerable potential for scalable, real-time robotic and navigation applications.
Dora: A Controller Provisioning Strategy in Hierarchical Domain-based Satellite Networks
Venue: arXiv cs.NI 2025
Year: 2025

The rapid proliferation of satellite constellations in Space-Air-Ground Integrated Networks (SAGIN) presents significant challenges for network management. Conventional flat network architectures struggle with synchronization and data transmission across massive distributed nodes. In response, hierarchical domain-based satellite network architectures have emerged as a scalable solution, highlighting the critical importance of controller provisioning strategies. However, existing network management architectures and traditional search-based algorithms fail to generate efficient controller provisioning solutions due to limited computational resources in satellites and strict time constraints. To address these challenges, we propose a three-layer domain-based architecture that enhances both scalability and adaptability. Furthermore, we introduce Dora, a reinforcement learning-based controller provisioning strategy designed to optimize network performance while minimizing computational overhead. Our comprehensive experimental evaluation demonstrates that Dora significantly outperforms state-of-the-art benchmarks, achieving 10% improvement in controller provisioning quality while requiring only 1/30 to 1/90 of the computation time compared to traditional algorithms. These results underscore the potential of reinforcement learning approaches for efficient satellite network management in next-generation SAGIN deployments.
Studying homing and synchronizing sequences for Timed Finite State Machines with output delays
Venue: arXiv cs.FL 2025
Year: 2025

The paper introduces final state identification (synchronizing and homing) sequences for Timed Finite State Machines (TFSMs) with output delays and investigates their properties. We formally define the notions of homing sequences (HSs) and synchronizing sequences (SSs) for these TFSMs and demonstrate that several properties that hold for untimed machines do not necessarily apply to timed ones. Furthermore, we explore the applicability of various approaches for deriving SSs and HSs for Timed FSMs with output delays, such as truncated successor tree-based and FSM abstraction-based methods. Correspondingly, we identify the subclasses of TFSMs for which these approaches can be directly applied and those for which other methods are required. Additionally, we evaluate the complexity of existence check and derivation of (shortest) HSs / SSs for TFSMs with output delays.